CID 3050462

4-piperidone, 3-axial-hydroxy-3-equatorial-methyl-6-equatorial-phenyl-, hydrochloride

Structural Information

Molecular Formula
C12H15NO2
SMILES
C[C@@]1(CN[C@@H](CC1=O)C2=CC=CC=C2)O
InChI
InChI=1S/C12H15NO2/c1-12(15)8-13-10(7-11(12)14)9-5-3-2-4-6-9/h2-6,10,13,15H,7-8H2,1H3/t10-,12-/m0/s1
InChIKey
FCHSENMMULOZQO-JQWIXIFHSA-N
Compound name
(2S,5S)-5-hydroxy-5-methyl-2-phenylpiperidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.11028 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.11756 146.8
[M+Na]+ 228.09950 159.1
[M+NH4]+ 223.14410 156.1
[M+K]+ 244.07344 150.9
[M-H]- 204.10300 149.4
[M+Na-2H]- 226.08495 154.7
[M]+ 205.10973 149.3
[M]- 205.11083 149.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.